1-[[3-[2-(ethylamino)pyridin-4-yl]-1H-1,2,4-triazol-5-yl]methyl]-3-methyl-thiourea

Systemtic Name: 1-[[3-[2-(ethylamino)pyridin-4-yl]-1H-1,2,4-triazol-5-yl]methyl]-3-methyl-thiourea Openeye Name: 1-[[3-[2-(ethylamino)-4-pyridyl]-1H-1,2,4-triazol-5-yl]methyl]-3-methyl-thiourea CAS Name: 1-[[3-[2-(ethylamino)-4-pyridinyl]-1H-1,2,4-triazol-5-yl]methyl]-3-methylthiourea IUPAC Name: 1-[[3-[2-(ethylamino)pyridin-4-yl]-1H-1,2,4-triazol-5-yl]methyl]-3-methylthiourea Traditional Name: 1-[[3-[2-(ethylamino)-4-pyridyl]-1H-1,2,4-triazol-5-yl]methyl]-3-methyl-thiourea Formula: C12H17N7S MolecularWeight: 291.37528

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=CC(=C1)C2=NNC(=N2)CNC(=S)NC

Isomeric SMILES

CCNC1=NC=CC(=C1)C2=NNC(=N2)CNC(=S)NC

InChI

InChI=1S/C12H17N7S/c1-3-14-9-6-8(4-5-15-9)11-17-10(18-19-11)7-16-12(20)13-2/h4-6H,3,7H2,1-2H3,(H,14,15)(H2,13,16,20)(H,17,18,19)